N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide

C15H14ClNO2S — CID 10828577

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCCc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H14ClNO2S/c1-10-2-7-13(20-10)14(18)15(19)17-9-8-11-3-5-12(16)6-4-11/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyLJZVSCHCOPPISG-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide (PubChem CID 10828577) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide
PubChem CID10828577
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCCc2ccc(Cl)cc2)s1
InChIInChI=1S/C15H14ClNO2S/c1-10-2-7-13(20-10)14(18)15(19)17-9-8-11-3-5-12(16)6-4-11/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyLJZVSCHCOPPISG-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide (CID 10828577) is N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NCCc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide?
The InChIKey is LJZVSCHCOPPISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-10-2-7-13(20-10)14(18)15(19)17-9-8-11-3-5-12(16)6-4-11/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide has a molecular weight of 307.80 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(5-methylthiophen-2-yl)-2-oxoacetamide is sourced from PubChem (CID 10828577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).